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Re: H5MD proposal for quaternion


From: Konrad Hinsen
Subject: Re: H5MD proposal for quaternion
Date: Sun, 2 Feb 2020 12:42:24 +0100
User-agent: Mozilla/5.0 (Macintosh; Intel Mac OS X 10.14; rv:60.0) Gecko/20100101 Thunderbird/60.9.1

Hi Pierre,

I wrote a proposal for the storage of quaternions 
http://nongnu.org/h5md/proposals/0104_particles_quaternion.html

Comments welcome.

"The specific meaning of the quaternion depends on the creator of the data."

If the interpretation is undefined, why put this into a standard? It looks more useful to define a standard method for adding program-specific data to a trajectory, and then use that method for adding quaternions or whatever else.

Konrad.



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